[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone

C19H25N3O2 — CID 56887327

IUPAC[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(N(C)C)CC2)c2ccccc2n1
InChIInChI=1S/C19H25N3O2/c1-21(2)14-7-6-11-22(12-10-14)19(23)16-13-18(24-3)20-17-9-5-4-8-15(16)17/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3
InChIKeyYCUAFTLGNSPMIC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.80
Rot. Bonds3

About [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone

[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone (PubChem CID 56887327) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
PubChem CID56887327
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(N(C)C)CC2)c2ccccc2n1
InChIInChI=1S/C19H25N3O2/c1-21(2)14-7-6-11-22(12-10-14)19(23)16-13-18(24-3)20-17-9-5-4-8-15(16)17/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3
InChIKeyYCUAFTLGNSPMIC-UHFFFAOYSA-N
XLogP2.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447
2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 136553678
(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 177077672
(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 119068199
(2,2-dimethyl-1,4-oxazepan-4-yl)-(2-methoxyquinolin-4-yl)methanone
CID 138034545
(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553897
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 70746098
[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 92760503
(2-methoxyquinolin-4-yl)-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]methanone
CID 118770764
[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(2-methoxyquinolin-4-yl)methanone
CID 134701449
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone?
The IUPAC name of [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone (CID 56887327) is [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone?
The canonical SMILES for [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone is COc1cc(C(=O)N2CCCC(N(C)C)CC2)c2ccccc2n1.
What is the InChIKey of [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone?
The InChIKey is YCUAFTLGNSPMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(2)14-7-6-11-22(12-10-14)19(23)16-13-18(24-3)20-17-9-5-4-8-15(16)17/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3.
What are the key properties of [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone?
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone is sourced from PubChem (CID 56887327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).